2-[[3-(3-azanyl-3-oxidanylidene-propyl)-2-(4-chlorophenyl)carbonyl-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-(3-azanyl-3-oxidanylidene-propyl)-2-(4-chlorophenyl)carbonyl-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[3-(3-amino-3-oxo-propyl)-2-(4-chlorobenzoyl)benzofuran-6-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[3-(3-amino-3-oxopropyl)-2-[(4-chlorophenyl)-oxomethyl]-6-benzofuranyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[3-(3-amino-3-oxopropyl)-2-(4-chlorobenzoyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[3-(3-amino-3-keto-propyl)-2-(4-chlorobenzoyl)benzofuran-6-yl]amino]-2-keto-acetic acid Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)C(=O)O)CCC(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)C(=O)O)CCC(=O)N)Cl

InChI

InChI=1S/C20H15ClN2O6/c21-11-3-1-10(2-4-11)17(25)18-14(7-8-16(22)24)13-6-5-12(9-15(13)29-18)23-19(26)20(27)28/h1-6,9H,7-8H2,(H2,22,24)(H,23,26)(H,27,28)